2,6-bis[4-[1,3-bis(oxidanylidene)isoindol-2-yl]-2,5-ditert-butyl-phenyl]-4,8-bis(4-chlorophenyl)pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone

Systemtic Name: 2,6-bis[4-[1,3-bis(oxidanylidene)isoindol-2-yl]-2,5-ditert-butyl-phenyl]-4,8-bis(4-chlorophenyl)pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone Openeye Name: 4,8-bis(4-chlorophenyl)-2,6-bis[2,5-ditert-butyl-4-(1,3-dioxoisoindolin-2-yl)phenyl]pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone CAS Name: 4,8-bis(4-chlorophenyl)-2,6-bis[2,5-ditert-butyl-4-(1,3-dioxo-2-isoindolyl)phenyl]pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone IUPAC Name: 4,8-bis(4-chlorophenyl)-2,6-bis[2,5-ditert-butyl-4-(1,3-dioxoisoindol-2-yl)phenyl]pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone Traditional Name: 4,8-bis(4-chlorophenyl)-2,6-bis(2,5-ditert-butyl-4-phthalimido-phenyl)pyrrol[3,4-f]isoindole-1,3,5,7-diquinone Formula: C66H56Cl2N4O8 MolecularWeight: 1104.07884

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=C(C=C1N2C(=O)C3=CC=CC=C3C2=O)C(C)(C)C)N4C(=O)C5=C(C6=C(C(=C5C4=O)C7=CC=C(C=C7)Cl)C(=O)N(C6=O)C8=C(C=C(C(=C8)C(C)(C)C)N9C(=O)C1=CC=CC=C1C9=O)C(C)(C)C)C1=CC=C(C=C1)Cl

Isomeric SMILES

CC(C)(C)C1=CC(=C(C=C1N2C(=O)C3=CC=CC=C3C2=O)C(C)(C)C)N4C(=O)C5=C(C6=C(C(=C5C4=O)C7=CC=C(C=C7)Cl)C(=O)N(C6=O)C8=C(C=C(C(=C8)C(C)(C)C)N9C(=O)C1=CC=CC=C1C9=O)C(C)(C)C)C1=CC=C(C=C1)Cl

InChI

InChI=1S/C66H56Cl2N4O8/c1-63(2,3)41-31-47(43(65(7,8)9)29-45(41)69-55(73)37-17-13-14-18-38(37)56(69)74)71-59(77)51-49(33-21-25-35(67)26-22-33)53-54(50(52(51)60(71)78)34-23-27-36(68)28-24-34)62(80)72(61(53)79)48-32-42(64(4,5)6)46(30-44(48)66(10,11)12)70-57(75)39-19-15-16-20-40(39)58(70)76/h13-32H,1-12H3